General Information of the Compound
| Compound ID |
CP0462887
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| Compound Name |
6,7-dichloro-2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-4-methyl-3H-pyrrolo[3,4-b]indol-1-one
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| Structure |
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| Formula |
C25H27Cl2N3O3
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| Molecular Weight |
488.415
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| Canonical SMILES |
COc1ccc(cc1OCCN1CCCCC1)N1Cc2c(C1=O)c1cc(Cl)c(Cl)cc1n2C
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| InChI |
InChI=1S/C25H27Cl2N3O3/c1-28-20-14-19(27)18(26)13-17(20)24-21(28)15-30(25(24)31)16-6-7-22(32-2)23(12-16)33-11-10-29-8-4-3-5-9-29/h6-7,12-14H,3-5,8-11,15H2,1-2H3
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| InChIKey |
PTDVPXOIEWMMPL-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C